5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol

C17H10INO3 — CID 137189790

IUPAC5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol
SMILESOc1ccc2cc(-c3cc(I)c(O)c4ncccc34)oc2c1
InChIInChI=1S/C17H10INO3/c18-13-8-12(11-2-1-5-19-16(11)17(13)21)15-6-9-3-4-10(20)7-14(9)22-15/h1-8,20-21H
InChIKeyJZYWKPIRHMXZAH-UHFFFAOYSA-N
MW403.18 g/mol
LogP4.66
Rot. Bonds1

About 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol

5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol (PubChem CID 137189790) has the molecular formula C17H10INO3 and a molecular weight of 403.18 g/mol. Its IUPAC name is 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol.

Molecular Properties

Compound Name5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol
PubChem CID137189790
Molecular FormulaC17H10INO3
Molecular Weight403.18 g/mol
Exact Mass402.97
IUPAC Name5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol
SMILESOc1ccc2cc(-c3cc(I)c(O)c4ncccc34)oc2c1
InChIInChI=1S/C17H10INO3/c18-13-8-12(11-2-1-5-19-16(11)17(13)21)15-6-9-3-4-10(20)7-14(9)22-15/h1-8,20-21H
InChIKeyJZYWKPIRHMXZAH-UHFFFAOYSA-N
XLogP4.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.18
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol?
The IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol (CID 137189790) is 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol.
What is the SMILES notation for 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol?
The canonical SMILES for 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol is Oc1ccc2cc(-c3cc(I)c(O)c4ncccc34)oc2c1.
What is the InChIKey of 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol?
The InChIKey is JZYWKPIRHMXZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10INO3/c18-13-8-12(11-2-1-5-19-16(11)17(13)21)15-6-9-3-4-10(20)7-14(9)22-15/h1-8,20-21H.
What are the key properties of 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol?
5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol has a molecular weight of 403.18 g/mol, XLogP of 4.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-1-benzofuran-2-yl)-7-iodoquinolin-8-ol is sourced from PubChem (CID 137189790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).